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14 works

Work: New tolerance factor to predict the stability of perovskite oxides and halides

  1. First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF<sub>3</sub> (X = Ru, Os)

    Jehan Y. Al‐Humaidi, Javed Iqbal, Abdullah Abdullah +9

    ArticlePerovskite Materials and ApplicationsACS Omega20235 citations
    ABI

  2. Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

    Amina, Naseem Akhter, Salhah Hamed Alrefaee +9

    ArticlePerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 citations
    ABI

  3. Electronic Structural, Optical and Elastic Properties of K-Based Lead-Free Perovskites KXF3 (X = Nb, Ti, Zr) via DFT Computational Approach

    Jehan Y. Al‐Humaidi, Abdullah Abdullah, Amina +7

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20234 citations
    ABI

  4. Unveiling ferroelectric and altermagnetic coexistence in multiferroic HfMnO<sub>3</sub> perovskite

    Abid Zaman, Salhah Hamed Alrefaee, Shirin Shomurotova +5

    ArticleMultiferroics and related materialsRSC Advances20252 citations
    ABI

  5. A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications

    Anjali Kumari, Ali B.M. Ali, Jisha Annie Abraham +5

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20251 citations
    ABI

  6. Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory

    Gohar Ayub, Mudasser Husain, Nourreddine Sfina +6

    ArticlePerovskite Materials and ApplicationsOptical and Quantum Electronics20230 citations
    ABI

  7. Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

    Sarika Bajpai, Ali B.M. Ali, Preeti Kumari +6

    ArticleHeusler alloys: electronic and magnetic propertiesPolyhedron20250 citations
    ABI

  8. Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

    Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8

    ArticleHydrogen Storage and MaterialsNew Journal of Chemistry20250 citations
    ABI

  9. Data-driven discovery of novel synthesizable MAX phase materials

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +3

    ArticleMXene and MAX Phase MaterialsApplied Materials Today20250 citations
    ABI

  10. Fluoride‐Based Halide Double Perovskites X <sub>2</sub> BiAuF <sub>6</sub> (X = K, Rb): A Computational Insight into their Structural Integrity, Optoelectronic Performance, and Thermoelectric Potential

    Faouzi Didi, Hussain J. Alathlawi, Karrar Hazim Salem +6

    ArticleHeusler alloys: electronic and magnetic propertiesEnergy Technology20250 citations
    ABI

  11. DFT driven insights into physical, opto-electronic attributes of novel layered Sr2MO4 (M = Hf, Ti, V) perovskites for advanced solar cell applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +6

    ArticleHeusler alloys: electronic and magnetic propertiesIndian Journal of Physics20250 citations
    ABI

  12. Synergistic pathways for heavy-metal remediation towards sustainable clean-water systems using coordination-engineered MXene–perovskite hybrids

    J. Aravind Kumar, Faten Labassi, S. Sathish +5

    ArticleMXene and MAX Phase MaterialsCoordination Chemistry Reviews20260 citations
    ABI

  13. Ab initio insights into the physical properties of cubic CeFeO3 perovskite

    Abrar Nazir, Ali B. M. Ali, Ejaz Ahmad Khera +5

    ArticleCopper-based nanomaterials and applicationsComputational Condensed Matter20260 citations
    ABI

  14. Altermagnetism, giant ferroelectric polarization, and pronounced optical response in TiMnO3 perovskite

    Vineet Tirth, Kakul Husain, Salhah Hamed Alrefaee +5

    ArticleMultiferroics and related materialsJournal of Physics and Chemistry of Solids20260 citations
    ABI